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116856-18-9 | Formamide, N-[1-[2-(formyloxy)ethyl]-1H-pyrazol-5-yl]-
CAS No: 116856-18-9 Catalog No: AG000DB9 MDL No:MFCD09744040
Product Description
Catalog Number:
AG000DB9
Chemical Name:
Formamide, N-[1-[2-(formyloxy)ethyl]-1H-pyrazol-5-yl]-
CAS Number:
116856-18-9
Molecular Formula:
C7H9N3O3
Molecular Weight:
183.1647
MDL Number:
MFCD09744040
IUPAC Name:
2-(5-formamidopyrazol-1-yl)ethyl formate
InChI:
InChI=1S/C7H9N3O3/c11-5-8-7-1-2-9-10(7)3-4-13-6-12/h1-2,5-6H,3-4H2,(H,8,11)
InChI Key:
ADNBFDFIEWMUBJ-UHFFFAOYSA-N
SMILES:
O=COCCn1nccc1NC=O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.167g/mol
Monoisotopic Mass:
183.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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